Chloroiodoacetic acid

CAT: 0013-GTR19188965Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19188965Size:5 mg

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Description

Chloroiodoacetic acid is a disinfection byproduct formed during chlorine-based water treatment. It is utilized in environmental and toxicological research to study its formation, genotoxicity, and cellular effects in both in vitro and in vivo models.

CAS Number

53715-09-6

Smiles

OC (=O) C (Cl) I

Molecular Formula

C2H2ClIO2

Molecular Weight

220.39

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Chloro(iodo)acetic acid

CAS Number	53715-09-6
PubChem CID	23426777
IUPAC Name	2-chloro-2-iodoacetic acid
Molecular Formula	C2H2ClIO2
Molecular Weight	220.39
XLogP	1.2
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	64

SMILES

C(C(=O)O)(Cl)I

InChI

InChI=1S/C2H2ClIO2/c3-1(4)2(5)6/h1H,(H,5,6)

InChIKey

ORHUCRGLFVRTJV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53715-09-6

CID: 23426777

Formula: C2H2ClIO2

MW: 220.39

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	220.39
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	219.87880
Monoisotopic Mass	219.87880
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	64.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
RM-H010309-01	Chloroiodoacetic Acid
OR1071368-01	Acid-apeg6-acid
M2859	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid
O8099-01	Oxalacetic Acid (Oxaloacetic acid)
MBS6036559-01	a-Lipoic Acid (Thioctic Acid)
MBS651473-01	Ambuic acid ((+)-Ambuic acid)

Chloroiodoacetic acid

Chemical Information

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